69779926 -OEChem-03192403043D 26 29 0 0 0 0 0 0 0999 V2000 0.6033 0.6312 -0.1841 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 0.4003 -0.5999 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3672 1.7072 0.6526 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3544 0.2634 -1.9905 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5982 -1.5471 -0.5912 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 -0.3715 1.4517 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2845 2.8844 0.4362 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 -1.5829 0.0604 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -0.9210 1.0948 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -0.2706 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 -0.0603 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0957 1.8038 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 0.4159 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 -0.1382 -0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 0.5797 -1.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 -0.2883 0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9418 -0.5884 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 -2.1239 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8883 -0.7936 1.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 0.9411 -2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 0.1349 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8468 -0.6934 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 3.7630 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 2.8798 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 -3.1617 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -1.0685 2.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 12 2 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 2 0 0 0 0 5 10 2 0 0 0 0 5 18 1 0 0 0 0 6 11 2 0 0 0 0 6 19 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 16 1 0 0 0 0 8 18 2 0 0 0 0 9 17 1 0 0 0 0 9 19 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M END > 69779926 > 0.6 > 1 3 6 5 4 2 > 26 1 0.3 10 0.11 11 0.11 12 0.27 13 0.23 14 0.23 15 0.04 16 0.16 17 0.16 18 0.47 19 0.47 2 0.3 20 0.15 21 0.15 22 0.15 23 0.4 24 0.4 25 0.15 26 0.15 3 -0.57 4 -0.57 5 -0.57 6 -0.57 7 -0.88 8 -0.62 9 -0.62 > 1 > 10 1 7 donor 3 2 4 15 cation 3 2 6 11 cation 3 5 8 18 cation 3 6 9 19 cation 4 1 3 7 12 cation 5 1 3 10 12 13 rings 5 2 4 11 14 15 rings 6 5 8 10 13 16 18 rings 6 6 9 11 14 17 19 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0428C1D600000001 > 33.8441 > 51.489 > 10465860 71 16081376266880196839 11471102 22 18413387644234254376 11582403 64 16026113798777363525 11640471 11 17059499693430791761 12202030 40 18041001751756861299 12236239 1 17203607116084060575 12553582 1 18273211968030212798 13140716 1 18127115597656173530 13296908 3 18260825990474690494 13538477 17 16701735072551608629 13583140 156 17916866966970688739 13965767 371 16125320345023037707 14386348 63 18113900459215647210 15219456 202 18187920715910961748 15375462 175 16371000815381023473 15375462 478 17703798002628297097 15422964 175 18339369556555641454 16752209 62 15719655637824993087 16945 1 18342453802482624452 1813 80 17845671256910355796 19049666 15 18115294580035677893 19141452 34 18187653548335873867 19862831 5 13623532363416392187 200 152 18130777971824485543 20600515 1 16588852616170052541 20645477 70 18339065064622182695 21061003 4 18411702071196660417 22112679 90 16773791540970871416 2255824 54 18129101302338810364 23175994 123 18408886209080717988 23526113 38 18116974646529540004 23557571 272 17312817195398510324 23559900 14 17313374596628510054 2748010 2 17841421541363340988 31174 14 18264491852562719929 3286 77 18336550507715948355 474 4 17343766364761584160 568465 68 18334297586667957098 6992083 37 17489864934058151501 77492 1 17203323459322102829 81228 2 18049994498795408640 90316 7 16558753386421994809 > 346.18 6.92 1.93 1.45 0.35 0.74 0.19 -3.34 -1.19 -1.64 -0.23 1.49 -0.03 1.01 > 795.138 > 172.9 > 2 5 10 $$$$